Testing and validation of a self-diffusion coefficient model based on molecular dynamics simulations

In our previous work,we endowed a new physical meaning of self-diffusion coefficient in Fick’s law,which proposed that the diffusion coefficient can be described as the product of the characteristic length and the diffusion velocity.To testify this simple theory,in this work,we further investigated the underlying mechanism of the characteristic length and the diffusion velocity at the molecular level.After a complete dynamic run,the statistical average diffusion velocity and the characteristic length of molecules can be obtained by scripts,and subsequently the diffusion coefficient was determined by our proposed theory.The diffusion processes in 35 systems with a wide range of pressure and concentration variations were simulated using this model.From the simulated results,diffusion coefficients from our new model matched well with the experimental results from literatures.The total average relative deviation of predicted values with respect to the experimental results is 8.18%,indicating that the novel model is objective and rational.Compared with the traditional MSD-t model,this novel diffusion coefficient model provides more reliable results,and the theory is simple and straightforward in concept.Additionally,the effect of gas pressure and liquid concentration on the diffusion behavior were discussed,and the microscopic diffusion mechanism was elucidated through the distribution of diffusion velocity and the characteristic length analysis.Moreover,we suggested new distribution functions,providing more reliable data theoretical foundations for the future research about the diffusion coefficient.

Electron Transport Coefficients and Effective Ionization Coefficients in SF_6-O_2 and SF_6-Air Mixtures Using Boltzmann Analysis

The electron drift velocity, electron energy distribution function （EEDF）, densitynormalized effective ionization coefficient and density-normalized longitudinal diffusion velocity are calculated in SF6-O2 and SFs-Air mixtures. The experimental results from a pulsed Townsend discharge are plotted for comparison with the numerical results. The reduced field strength varies from 40 Td to 500 Td （1 Townsend=10-17 V.cm2） and the SF6 concentration ranges from 10% to 100%. A Boltzmann equation associated with the two-term spherical harmonic expansion approximation is utilized to gain the swarm parameters in steady-state Townsend. Results show that the accuracy of the Boltzlnann solution with a two-term expansion in calculating the electron drift velocity, electron energy distribution function, and density-normalized effective ionization coefficient is acceptable. The effective ionization coefficient presents a distinct relationship with the SF6 content in the mixtures. Moreover, the E/Ncr values in SF6-Air mixtures are higher than those in SF6-O2 mixtures and the calculated value E/Ncr in SF6-O2 and SF6-Air mixtures is lower than the measured value in SFB-N2. Parametric studies conducted on these parameters using the Boltzmann analysis offer substantial insight into the plasma physics, as well as a basis to explore the ozone generation process.

3-D approximate inversion for transient electromagnetic soundings

In this paper, based on the theories of smoke ring, current lines in the Earth, induced by transmitting source on the Earths surface, are regarded as downward moving and outward expanding current filaments which are called as images of transmitting source. By comparing the magnetic field of the current filaments with that measured near the source, we can determine the image depth which can be used for estimating the downward vertical velocity of the image by using a cubic spline interpolation method. Then the resistivities varying with depth can be approximately estimated through a comparison between the estimated velocity of the image and the downward diffusing velocity in a homogeneous half space. We discussed the case of a circular transmitting loop, and developed a corresponding approximate inversion program which has been tested for 1-D layered-Earth models and real data.